Dataset
CA-9-CA_9-training
Download Dataset XYZ file
| Name | CA-9-CA_9-training |
|---|---|
| Extended ID | CA-9-CA_9-training_HedmanRotheJohanssonSandinLarssonMiyamoto__DS_k9d1ixct0yzv_0 |
| Description | Configurations from CA-9 dataset used for training NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials |
| Authors |
Daniel Hedman Tom Rothe Gustav Johansson Fredrik Sandin J. Andreas Larsson Yoshiyuki Miyamoto |
| Elements |
C (100.0%) |
| Number of Data Objects | 40,000 |
| Number of Configurations | 40,000 |
| Number of Atoms | 2,195,399 |
| Links |
https://doi.org/10.24435/materialscloud:6h-yj https://doi.org/10.1016/j.cartre.2021.100027 |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Data Objects | Too many to display |
| ColabFit ID | DS_k9d1ixct0yzv_0 |
| Files | colabfitspec.json |
No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.